3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine

C44H32N12 — CID 144664737

IUPAC3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
SMILESc1cc(-c2cc(-c3ccncc3)[nH]n2)cc(-c2cc(-c3ccncc3)[nH]n2)c1.c1cncc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/2C22H16N6/c1-4-15(19-11-21(27-25-19)17-6-2-8-23-13-17)10-16(5-1)20-12-22(28-26-20)18-7-3-9-24-14-18;1-2-17(21-13-19(25-27-21)15-4-8-23-9-5-15)12-18(3-1)22-14-20(26-28-22)16-6-10-24-11-7-16/h2*1-14H,(H,25,27)(H,26,28)
InChIKeyCARMBJIEPQKZHK-UHFFFAOYSA-N
MW728.82 g/mol
LogP9.18
Rot. Bonds8

About 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine

3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine (PubChem CID 144664737) has the molecular formula C44H32N12 and a molecular weight of 728.82 g/mol. Its IUPAC name is 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
PubChem CID144664737
Molecular FormulaC44H32N12
Molecular Weight728.82 g/mol
Exact Mass728.29
IUPAC Name3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
SMILESc1cc(-c2cc(-c3ccncc3)[nH]n2)cc(-c2cc(-c3ccncc3)[nH]n2)c1.c1cncc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)n[nH]4)c3)[nH]n2)c1
InChIInChI=1S/2C22H16N6/c1-4-15(19-11-21(27-25-19)17-6-2-8-23-13-17)10-16(5-1)20-12-22(28-26-20)18-7-3-9-24-14-18;1-2-17(21-13-19(25-27-21)15-4-8-23-9-5-15)12-18(3-1)22-14-20(26-28-22)16-6-10-24-11-7-16/h2*1-14H,(H,25,27)(H,26,28)
InChIKeyCARMBJIEPQKZHK-UHFFFAOYSA-N
XLogP9.18
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.82
LogP ≤ 59.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine with MolForge

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Related Compounds

1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
5-[5-[3-(3-pyrimidin-5-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyrimidine
CID 118529655
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine
CID 118529657
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine
CID 141253718
2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]pyridine
CID 137145048
2-methyl-5-(3-pyridin-3-yl-1H-pyrazol-5-yl)pyrazine
CID 141253813
4-pyridin-3-yl-2-(3-pyridin-3-yl-1H-pyrazol-5-yl)-1H-indole
CID 137112879
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
3,5-bis(3-bromophenyl)-1H-pyrazole
CID 19587667
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine (CID 144664737) is 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine is c1cc(-c2cc(-c3ccncc3)[nH]n2)cc(-c2cc(-c3ccncc3)[nH]n2)c1.c1cncc(-c2cc(-c3cccc(-c4cc(-c5cccnc5)n[nH]4)c3)[nH]n2)c1.
What is the InChIKey of 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine?
The InChIKey is CARMBJIEPQKZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N6/c1-4-15(19-11-21(27-25-19)17-6-2-8-23-13-17)10-16(5-1)20-12-22(28-26-20)18-7-3-9-24-14-18;1-2-17(21-13-19(25-27-21)15-4-8-23-9-5-15)12-18(3-1)22-14-20(26-28-22)16-6-10-24-11-7-16/h2*1-14H,(H,25,27)(H,26,28).
What are the key properties of 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine?
3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine has a molecular weight of 728.82 g/mol, XLogP of 9.18, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 144664737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).